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PDB: 52230 件

6FJE
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Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with fructose and glucose
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2018-01-22
公開日2019-07-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Deciphering the molecular specificity of phenolic compounds as inhibitors or glycosyl acceptors of beta-fructofuranosidase from Xanthophyllomyces dendrorhous.
Sci Rep, 9, 2019
6LYC
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BU of 6lyc by Molmil
Crystal structure of the NOD SIRPa complex with D4-2
分子名称: ACETIC ACID, D4-2, SIRPa of the NOD mouse strain
著者Murata, Y, Matsuda, M, Nakagawa, A, Matozaki, T.
登録日2020-02-14
公開日2020-07-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Macrocyclic Peptide-Mediated Blockade of the CD47-SIRP alpha Interaction as a Potential Cancer Immunotherapy.
Cell Chem Biol, 27, 2020
5GJG
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BU of 5gjg by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4
分子名称: N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-06-29
公開日2016-11-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
5CN4
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BU of 5cn4 by Molmil
Ultrafast dynamics in myoglobin: -0.1 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
8CBP
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BU of 8cbp by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tetrapeptide Thr-Glu-Pro-Leu
分子名称: Listeriolysin regulatory protein, peptide THR-GLU-PRO-LEU
著者Hainzl, T, Oelker, M, Sauer-Eriksson, A.E.
登録日2023-01-25
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of promiscuous inhibition of Listeria virulence activator PrfA by nutritional peptides
To Be Published
8CMT
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BU of 8cmt by Molmil
Structure of the plasma coagulation Factor XIII A2B2 heterotetrameric complex.
分子名称: Coagulation factor XIII A chain, Coagulation factor XIII B chain
著者Singh, S, Ugurlar, D, Hagelueken, G, Geyer, M, Biswas, A.
登録日2023-02-21
公開日2024-09-11
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Cryo-EM structure of the human native plasma coagulation factor XIII complex.
Blood, 2024
8CMU
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BU of 8cmu by Molmil
High resolution structure of the coagulation Factor XIII A2B2 heterotetramer complex.
分子名称: Coagulation factor XIII A chain, Coagulation factor XIII B chain
著者Singh, S, Urgular, D, Hagelueken, G, Geyer, M, Biswas, A.
登録日2023-02-21
公開日2024-09-11
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.41 Å)
主引用文献Cryo-EM structure of the human native plasma coagulation factor XIII complex.
Blood, 2024
6RFU
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BU of 6rfu by Molmil
In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of ATP and GMP as genuine co-factors
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
著者Nass, K, Redecke, L, Perbandt, M, Yefanov, O, Gabdulkhakov, A, Duszenko, M, Chapman, H.N, Betzel, C.
登録日2019-04-16
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors.
Nat Commun, 11, 2020
4O5R
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BU of 4o5r by Molmil
Crystal structure of Alkylhydroperoxide Reductase subunit C from E. coli
分子名称: AhpC component, subunit of alkylhydroperoxide reductase
著者Dip, P.V, Kamariah, N, Manimekalai, M.S.S, Gruber, G, Eisenhaber, F, Eisenhaber, B.
登録日2013-12-20
公開日2014-11-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Structure, mechanism and ensemble formation of the alkylhydroperoxide reductase subunits AhpC and AhpF from Escherichia coli
Acta Crystallogr.,Sect.D, 70, 2014
8DER
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BU of 8der by Molmil
Cryo-EM local refinement of antibody SKV16 in complex with VEEV alphavirus spike glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SKV16 Fab Heavy Chain, ...
著者Casner, R.G, Verardi, R, Roederer, M, Shapiro, L.
登録日2022-06-21
公開日2023-06-28
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
6XTC
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BU of 6xtc by Molmil
Crystal structure of haloalkane dehalogenase variant DhaA177 domain-swapped dimer type-3
分子名称: GLYCEROL, Haloalkane dehalogenase variant DhaA177 domain-swapped dimer type-3, SULFATE ION
著者Markova, K, Damborsky, J, Marek, M.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.543 Å)
主引用文献Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
8DEQ
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BU of 8deq by Molmil
Cryo-EM local refinement of antibody SKV09 in complex with VEEV alphavirus spike glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SKV09 Fab Heavy Chain, SKV09 Fab Light Chain, ...
著者Casner, R.G, Verardi, R, Roederer, M, Shapiro, L.
登録日2022-06-21
公開日2023-06-28
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
5V2H
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BU of 5v2h by Molmil
RNA octamer containing glycol nucleic acid, SgnT
分子名称: COBALT HEXAMMINE(III), MAGNESIUM ION, RNA (5'-R(*(CBV)P*GP*AP*AP*(ZTH)P*UP*CP*G)-3')
著者Harp, J.M, Egli, M.
登録日2017-03-04
公開日2017-06-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.080013 Å)
主引用文献Chirality Dependent Potency Enhancement and Structural Impact of Glycol Nucleic Acid Modification on siRNA.
J. Am. Chem. Soc., 139, 2017
7L91
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BU of 7l91 by Molmil
Structure of Metallo Beta-Lactamase L1 in a Complex with Hydrolyzed Moxalactam Determined by Pink-Beam Serial Crystallography
分子名称: (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION
著者Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Vukica, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-01-01
公開日2022-02-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase.
Nat Commun, 13, 2022
6XT8
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BU of 6xt8 by Molmil
Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-2
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Markova, K, Damborsky, J, Marek, M.
登録日2020-01-15
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
6MFY
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BU of 6mfy by Molmil
Crystal structure of a 5-domain construct of LgrA in the substrate donation state
分子名称: 4'-PHOSPHOPANTETHEINE, Linear gramicidin synthase subunit A, PHOSPHATE ION
著者Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M.
登録日2018-09-12
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
6FKY
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BU of 6fky by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-(benzylthio)succinyl-CPS1 peptide
分子名称: (2~{R})-2-(phenylmethylsulfanyl)butanedioic acid, (2~{S})-2-(phenylmethylsulfanyl)butanedioic acid, 1,2-ETHANEDIOL, ...
著者Pannek, M, Steegborn, C.
登録日2018-01-25
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Potent and Selective Inhibitors of Human Sirtuin 5.
J. Med. Chem., 61, 2018
6LYX
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BU of 6lyx by Molmil
Crystal structure of oxidized ACHT1
分子名称: GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ...
著者Wang, J.C, Pan, W.M, Cai, W.G, Wang, M.Z, Zhang, M.
登録日2020-02-16
公開日2020-05-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Structural insight into the biological functions of Arabidopsis thaliana ACHT1.
Int.J.Biol.Macromol., 158, 2020
5VAM
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BU of 5vam by Molmil
BRAF in Complex with RAF709
分子名称: N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2017-03-27
公開日2017-06-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
6FKG
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BU of 6fkg by Molmil
Crystal structure of the M.tuberculosis MbcT-MbcA toxin-antitoxin complex.
分子名称: GLYCEROL, Rv1989c (MbcT), Rv1990c (MbcA)
著者Freire, D.M, Cianci, M, Pogenberg, V, Schneider, T.R, Wilmanns, M, Parret, A.H.A.
登録日2018-01-24
公開日2019-02-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An NAD+Phosphorylase Toxin Triggers Mycobacterium tuberculosis Cell Death.
Mol.Cell, 73, 2019
5N13
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BU of 5n13 by Molmil
Second Bromodomain (BD2) from Candida albicans Bdf1 in the unbound form
分子名称: Bromodomain-containing factor 1, GLYCEROL
著者Mietton, F, Ferri, E, Champlebouxm, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
登録日2017-02-04
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N17
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First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 3)
分子名称: (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide, Bromodomain-containing factor 1, SULFATE ION
著者Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvon, M, d'Enfer, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
登録日2017-02-05
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
6LZH
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BU of 6lzh by Molmil
Crystal structure of Alpha/beta hydrolase GrgF from Penicillium sp. sh18
分子名称: GrgF, SODIUM ION
著者Wang, H, Yu, J, Wang, W.G, Matsuda, Y, Yao, M.
登録日2020-02-19
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Basis for the Biosynthesis of an Unusual Chain-Fused Polyketide, Gregatin A.
J.Am.Chem.Soc., 142, 2020
6USD
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BU of 6usd by Molmil
Barrier-to-autointegration factor soaked in ethanol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-25
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
8K9O
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BU of 8k9o by Molmil
Crystal structure of Cyanobacteriochrome RcaE GAF domain in Pg state
分子名称: PHYCOCYANOBILIN, histidine kinase
著者Nagae, T, Hirose, Y, Mishima, M.
登録日2023-08-01
公開日2024-05-15
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Green/red light-sensing mechanism in the chromatic acclimation photosensor.
Sci Adv, 10, 2024

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